CID 71757717

Methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate hydrochloride

Structural Information

Molecular Formula
C8H11NO2S
SMILES
COC(=O)CC1=CC=C(S1)CN
InChI
InChI=1S/C8H11NO2S/c1-11-8(10)4-6-2-3-7(5-9)12-6/h2-3H,4-5,9H2,1H3
InChIKey
TUOYZTHDLVIWLM-UHFFFAOYSA-N
Compound name
methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.05106 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.058336 139.4
[M+Na]+ 208.040278 147.5
[M-H]- 184.043784 143.1
[M+NH4]+ 203.084883 161.2
[M+K]+ 224.014218 145.5
[M+H-H2O]+ 168.048320 133.8
[M+HCOO]- 230.049261 159.6
[M+CH3COO]- 244.064911 180.8
[M+Na-2H]- 206.025726 140.0
[M]+ 185.05051142 142.0
[M]- 185.05160858 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe